Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIKLGNDWDELLKNEFNQPYYLTLRQFLKKEYQTKKV-FPDMYDIFNALKHTAYKDVKVVILGQDPYHGPGQAHGLSFSVQQGVQIPPSLQNIYLELHNDL-NCEIPNNGYLIPWADQGVLLLNTVLTVRAGQANSHRGQGWEILTNHIIEIINQKEEPVVFLLWGSNAKEKLQLLTNPKHTAFTSVHPSPLSASRGFMGCKHFSKTNQFLEQNGVKPIDWQIPSI
2JHQ Chain:A ((7-221))
-------WHDVIGNEKQQAYFQQTLQFVESQRQAGKVIYPPAKDVFNAFRFTEFGDVKVVILGQDPYHGPNQAHGLCFSVLPGVKTPPSLVNIYKELAQDIPGFQIPPHGYLQSWAQQGVLLLNTVLTVEQGMAHSHANTGWETFTDRVIDALNQHRNGLIFLLWGSHAQKKGQMIDRQRHHVLMAPHPSPLSAHRGFLGCRHFSKTNQLLQAQGIAPINWQ----
General information:
TITO was launched using:
RESULT:
Template:
2JHQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -111839 for 1723 contacts (-64.9/contact) +
2D Compatibility (PS) -22454 + (NN) -8254 + (LL) 564
1D Compatibility (HY) -20400 + (ID) 5800
Total energy: -168183.0 ( -97.61 by residue)
QMean score : 0.618
(partial model without unconserved sides chains):
PDB file :
Tito_2JHQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2JHQ-query.scw
PDB file :
Tito_Scwrl_2JHQ.pdb
: